SCHEMBL12752183

SCHEMBL12752183

CCCn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPD P32754 5/20 0.36
ADORA2A P29274 5/20 0.36
ADORA2B P29275 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
HPGD P15428 1/20 0.36
ADORA1 P30542 1/20 0.36
BLM P54132 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12752179 0.93 KMT2A (0.41) KMT2AMEN1TDP1ADORA2AMAPT
SCHEMBL12752190 0.91 KMT2A (0.39) KMT2AMEN1TDP1MAPTSMN1; SMN2
SCHEMBL12752174 0.91 KMT2A (0.40) KMT2AMEN1TDP1HPDADORA2A
SCHEMBL12752193 0.89 KMT2A (0.38) KMT2AMEN1TDP1MAPTHPGD
SCHEMBL12752403 0.89 KMT2A (0.41) KMT2AMEN1TDP1HPDADORA2A
SCHEMBL12752249 0.88 KMT2A (0.39) KMT2AMEN1TDP1MAPTPDE4A
SCHEMBL12752205 0.88 KMT2A (0.48) KMT2AMEN1TDP1MAPTGLA
SCHEMBL12752199 0.88 KMT2A (0.37) KMT2AMEN1TDP1MAPTSMN1; SMN2
SCHEMBL12752290 0.88 B3GNT2 (0.41) KMT2AMEN1TDP1HPDMAPT
SCHEMBL12752242 0.87 KMT2A (0.37) KMT2AMEN1TDP1MAPTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885TDP1 160/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885TDP1 160/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.